Information card for entry 7056080

Structure parameters

• Formula: C72 H64 Cl6
• Calculated formula: C72 H64 Cl6
• Title of publication: Hexaaryl-carbo-benzenes revisited: novel synthetic route, crystallographic data, and prospects of electrochemical behavior
• Authors of publication: Zhu, Chongwei; Duhayon, Carine; Romero-Borja, Daniel; Maldonado, Jose-Luis; Ramos-Ortiz, Gabriel; Saquet, Alix; Maraval, Valérie; Chauvin, Remi
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 3908 - 3914
• a: 10.172 ± 0.0005 Å
• b: 11.8006 ± 0.0008 Å
• c: 12.8576 ± 0.0007 Å
• α: 90.105 ± 0.005°
• β: 101.559 ± 0.005°
• γ: 94.484 ± 0.005°
• Cell volume: 1507.2 ± 0.15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No